N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide

C21H20N2O2S — CID 175789104

IUPACN-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-17-11-13-21(14-12-17)26(24,25)23-22-16-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-14,16,23H,15H2,1H3
InChIKeyLJVAZXLPUQMVAX-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.90
Rot. Bonds6

About N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 175789104) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID175789104
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-17-11-13-21(14-12-17)26(24,25)23-22-16-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-14,16,23H,15H2,1H3
InChIKeyLJVAZXLPUQMVAX-UHFFFAOYSA-N
XLogP3.90
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 10357801
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055
4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3641081
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516458
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 91972454
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[(E)-(3-butylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 170774954
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 175789104) is N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is LJVAZXLPUQMVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-17-11-13-21(14-12-17)26(24,25)23-22-16-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-14,16,23H,15H2,1H3.
What are the key properties of N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 175789104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).